[4-[[(3S)-1-[(4-tert-butylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]phenyl] phosphate

Systemtic Name: [4-[[(3S)-1-[(4-tert-butylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]phenyl] phosphate Openeye Name: [4-[[(3S)-1-[(4-tert-butylphenyl)methyl]-2-oxo-azepan-3-yl]carbamoyl]phenyl] phosphate CAS Name: [4-[[[(3S)-1-[(4-tert-butylphenyl)methyl]-2-oxo-3-azepanyl]amino]-oxomethyl]phenyl] phosphate IUPAC Name: [4-[[(3S)-1-[(4-tert-butylphenyl)methyl]-2-oxoazepan-3-yl]carbamoyl]phenyl] phosphate Traditional Name: [4-[[(3S)-1-(4-tert-butylbenzyl)-2-keto-azepan-3-yl]carbamoyl]phenyl] phosphate Formula: C24H29N2O6P-2 MolecularWeight: 472.470621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCCC(C2=O)NC(=O)C3=CC=C(C=C3)OP(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCC[C@@H](C2=O)NC(=O)C3=CC=C(C=C3)OP(=O)([O-])[O-]

InChI

InChI=1S/C24H31N2O6P/c1-24(2,3)19-11-7-17(8-12-19)16-26-15-5-4-6-21(23(26)28)25-22(27)18-9-13-20(14-10-18)32-33(29,30)31/h7-14,21H,4-6,15-16H2,1-3H3,(H,25,27)(H2,29,30,31)/p-2/t21-/m0/s1